1. Gene Predictor(ChemGenome 2.0) Whole Genome Analysis |
2. Bhageerath Predicts native-like structures for small globular proteins |
3. Sanjeevini A complete drug design software. |
4. Binding Affinity Prediction of Protein-Ligand Server(BAPPL) Computes the binding free energy of a protein-ligand complex. |
5. Binding Affinity Prediction of Protein-Ligand complex containing Zinc Server (BAPPL-Z) Computes the binding free energy of a metalloprotein-ligand complex containing zinc. |
6. Drug-DNA Interaction Energy (PreDDICTA) Calculates the Drug-DNA interaction energy. |
7. ParDOCK - Automated Server for Rigid Docking Predicts the binding mode of the ligand in receptor target site. |
8. Active Site Prediction |
9. Automated Version Of Active Site Prediction (AADS) Predicts 10 binding sites in a protein target and docks the uploaded ligand molecule at all 10 sites predicted in an automated mode. |
10. DnaDOCK - Dna Ligand Docking All-atom energy based Monte Carlo DNA ligand docking |
11. Non Redundant Database of Small Molecules Virtual high throughput screening of small molecules and their optimization into lead like candidates. |
12. Lipinski Filters Checks whether a drug satisfies the 5 Lipinski rules. |
Generates double helical secondary structure of DNA using conformational parameters taken from experimental fiber-diffraction studies. |
14. Gene Evaluator(ChemGenome 1.1) Characterizes a DNA sequence as gene or nongene |
15. Protein Structure Generation Structure Generation from given dihedrals |
Filters for Globular Protein Evaluation |
Filters for Globular Protein Evaluation |
18. Hydrophobicity Filters for Globular Protein Evaluation |
19. Packing Fraction Filters for Globular Protein Evaluation |
20. ProRegIn Protein Regularity Index |
21. Protein structure optimizer Energy minimizer for proteins |
22. ProSEE Scoring Function for Protein Structure Evaluation Calculates intramolecular energy of a protein in component-wise break up. |
23. Superimpose Fits two molecules and calculates the RMSD between them. |
Calculates the angles & dihedral in the main chain of the protein |
This tool is useful for calculating Wiener index. |
26. RASPD for Preliminary Screening of Drugs This tool is useful for preliminary screening of drug molecules based on Wiener index calculation. This will predict binding energy of drug/target at a preliminary stage. |
27. BGPred(Beta Gamma Turn Predictor) BG Pred web server predicts beta and gamma turns. |
Calculates the volume of a molecule |
29. Melting Temperature Predictor (For oligonuclotide) It predicts the melting temperature of short DNA sequences (upto 70 base pairs) at a user defined salt within the specified range. |
30. Genome analysis by melting It predicts the melting temperature for longer(>70 bases) DNA sequences, and it also gives the melting profile for the sequence. |
31. Transferrable Partial Atomic Charge Model - up to 4 bonds (TPACM4) This tool is used for assignment of partial atomic charge of small molecules. |
32. PROSECSC PROTEIN SECONDARY STRUCTURE PREDICTION. |
33. Gene Predictor(ChemGenome 3.0) ChemGenome 3.0 is a gene prediction tool that takes a whole genome sequence or a part of the genome of a prokaryote or virus as input and predicts genes along with their coressponding protein sequences in all the six reading frames. |
34.Bhageerath-H A Homology ab-initio Hybrid Web server for Protein Tertiary Structure Prediction. Starting with sequence, the web server predicts 5 native-like candidate structures for the protein. |
35. pcSM Software pcSM: Capturing Native Protein Structures with a Physico-Chemical Metric. |
36. MD Parameter based Tm Predictor |
37. D2N:Distance to Native |
38. SOM Prediction |
39. BAITOC: Bioactivity information to organic chemists |
40. RM2TS
From Ramchandran Maps to Tertiary Structures of Proteins. |
41. ProtSAV A Protein Tertiary Structure Analysis and Validation Server |
42. Onco-Regulon Onco-Regulon is an integrated database of regulatory motifs of cancer genes clubbed with Unique Sequence-Predictor (USP) a software suite that identifies unique sequences for each of these regulatory DNA motifs at the specified position in the genome. |
43. Pathogen Specific DNA Drug Finder (PSDDF) PSDDF is a computational protocol for identifying unique DNA sequence(s) in the pathogen which is absent in human and related non-pathogenic strains of the microbe. In order to use the unique sequence as drug target, the protocol, in the second step, uses virtual screening against a million compound library to identify candidate small molecules which can bind to these unique DNA targets in the pathogen only. |
44. SDIndex |
A measure for reliable modelability of protein tertiary structure. |
45. PvaxDB |
A comprehensive structural repository of P. vivax soluble proteome. |